NCI60_029649
TL;DR: NCI60_029649 (CAS 500294-64-4) is a chemical compound with molecular formula C24H21NO6 and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
Also Known As: NCI60_029649, trans-3-benzyloxy-cyclobutanecarboxylic acid methyl ester, 2'-(furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione, 4'-furan-2-yl-3'-(furan-2-ylcarbonyl)-4'-hydroxyspiro[1-benzazepine-4,1'-cyclohexane]-2,5(1h,3h)-dione, 2'-(furan-2-carbonyl)-1'-(2-furyl)-1'-hydroxy-spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
| Molecular Formula | C24H21NO6 |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.1369 |
| Heavy Atoms | 31 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 500294-64-4 |
|---|---|
| SMILES | C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CO4)(C5=CC=CO5)O |
| InChIKey | QOIBTJCCEGZCMA-UHFFFAOYSA-N |
Product Overview
NCI60_029649 (CAS 500294-64-4), with molecular formula C24H21NO6 and molecular weight 419.14 g/mol. IUPAC: 2'-(furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione.
Chemical Property Profile of NCI60_029649
Property Insights of NCI60_029649
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_029649. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_029649. Following Lipinski's Rule of Five, NCI60_029649 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_029649?
The CAS number of NCI60_029649 is 500294-64-4.
What is the molecular formula of NCI60_029649?
The molecular formula of NCI60_029649 is C24H21NO6.
What is the molecular weight of NCI60_029649?
The molecular weight of NCI60_029649 is 419.14 g/mol.
Where can I buy NCI60_029649?
You can request a quote for NCI60_029649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_029649?
Yes, KEHONG BIO provides custom synthesis services for NCI60_029649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.